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- Mon Mar 26, 2007 1:17 am
- Forum: VTSTTools
- Topic: Question about LANCZOS
- Replies: 2
- Views: 8200
Question about LANCZOS
I have use the LANCZOS methods to find the saddles for H atom moving on the SWCNT. Here is my INCAR and POSCAR, nano h 1.00000000000000 15.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.23000000...